butyl 2-pyridin-2-ylacetate

C11H15NO2 — CID 14936493

IUPACbutyl 2-pyridin-2-ylacetate
SMILESCCCCOC(=O)Cc1ccccn1
InChIInChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-10-6-4-5-7-12-10/h4-7H,2-3,8-9H2,1H3
InChIKeyAOWFSADDXYTKTN-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.97
Rot. Bonds5

About butyl 2-pyridin-2-ylacetate

butyl 2-pyridin-2-ylacetate (PubChem CID 14936493) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is butyl 2-pyridin-2-ylacetate.

Molecular Properties

Compound Namebutyl 2-pyridin-2-ylacetate
PubChem CID14936493
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namebutyl 2-pyridin-2-ylacetate
SMILESCCCCOC(=O)Cc1ccccn1
InChIInChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-10-6-4-5-7-12-10/h4-7H,2-3,8-9H2,1H3
InChIKeyAOWFSADDXYTKTN-UHFFFAOYSA-N
XLogP1.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 2-pyridin-2-ylacetate?
The IUPAC name of butyl 2-pyridin-2-ylacetate (CID 14936493) is butyl 2-pyridin-2-ylacetate.
What is the SMILES notation for butyl 2-pyridin-2-ylacetate?
The canonical SMILES for butyl 2-pyridin-2-ylacetate is CCCCOC(=O)Cc1ccccn1.
What is the InChIKey of butyl 2-pyridin-2-ylacetate?
The InChIKey is AOWFSADDXYTKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-10-6-4-5-7-12-10/h4-7H,2-3,8-9H2,1H3.
What are the key properties of butyl 2-pyridin-2-ylacetate?
butyl 2-pyridin-2-ylacetate has a molecular weight of 193.25 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-pyridin-2-ylacetate is sourced from PubChem (CID 14936493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).